Charge: 1
Inchi:1S/C28H14/c1-2-4-20-19(3-1)21-13-11-17-9-7-15-5-6-16-8-10-18-12-14-22(20)28-26(18)24(16)23(15)25(17)27(21)28/h1-14H/q+1
Electronic States
Energy
(eV)
-1074.14485
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01061 b
(cm-1)
0.00579 c
(cm-1)
0.00375
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.03021
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.33800
Eigenvectors
#
X
Y
Z
1
0.00000
0.00432
-0.00746
2
0.00000
-0.00432
-0.00746
3
0.00000
0.00341
-0.03308
4
0.00000
-0.00802
0.02281
5
0.00000
0.00802
0.02281
6
0.00000
-0.00341
-0.03308
7
0.00000
0.01205
-0.00940
8
0.00000
-0.01399
0.02115
9
0.00000
0.01399
0.02115
10
0.00000
-0.01205
-0.00940
11
0.00000
-0.00453
0.04233
12
0.00000
0.00857
-0.01812
13
0.00000
-0.00857
-0.01812
14
0.00000
0.00453
0.04233
15
0.00000
0.02061
-0.00113
16
0.00000
-0.02061
-0.00113
17
0.00000
-0.01900
-0.00888
18
0.00000
0.00639
0.00003
19
0.00000
-0.00639
0.00003
20
0.00000
0.01900
-0.00888
21
0.00000
-0.01051
0.01591
22
0.00000
0.01744
-0.01420
23
0.00000
-0.01744
-0.01420
24
0.00000
0.01051
0.01591
25
0.00000
0.06333
0.04217
26
0.00000
-0.06333
0.04217
27
0.00000
0.10122
-0.07529
28
0.00000
-0.10122
-0.07529
29
0.00000
-0.02006
-0.09579
30
0.00000
0.00687
0.07574
31
0.00000
-0.00687
0.07574
32
0.00000
0.02006
-0.09579
33
0.00000
0.06342
0.06501
34
0.00000
-0.01543
-0.03406
35
0.00000
0.01543
-0.03406
36
0.00000
-0.06342
0.06501
37
0.00000
0.24196
-0.00667
38
0.00000
0.07317
0.01786
39
0.00000
-0.07317
0.01786
40
0.00000
-0.24196
-0.00667
41
0.00000
0.07156
0.25366
42
0.00000
-0.07155
0.25366